Information card for entry 2103696

Structure parameters

• Chemical name: 7-b-(2,4-dinitrophenyl)fluoradene
• Formula: C25 H14 N2 O4
• Calculated formula: C25 H14 N2 O4
• SMILES: O=N(=O)c1c(C23c4c(cccc4c4ccccc24)c2c3cccc2)ccc(N(=O)=O)c1
• Title of publication: Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
• Authors of publication: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 507 - 516
• a: 15.383 ± 0.002 Å
• b: 15.424 ± 0.003 Å
• c: 17.026 ± 0.003 Å
• α: 90°
• β: 109.31 ± 0.01°
• γ: 90°
• Cell volume: 3812.5 ± 1.1 ų
• Cell temperature: 273 ± 1 K
• Ambient diffraction temperature: 273 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes